Geometry & MOs

Info

ID:	18801
PubChem CID:	548480
Reduced:	ClBr2N4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	467.9175
ΔH_f, kcal/mol:	78.57
Dipole, Da:	3.23
IP(EA), eV:	-8.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,4-N-bis(4-bromophenyl)-5-chloro-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)Br)NC3=CC=C(C=C3)Br)Cl

DOS

IR

Vibrations